SCHEMBL19205341

SCHEMBL19205341

CC(C)(C)OC(=O)N1CCC(Cn2ccc([N+](=O)[O-])n2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GPR119 Q8TDV5 6/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ FAAH O00519 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19280726 0.83 PKM (0.51) PKMALDH1A1LMNAPOLBCYP1A2
SCHEMBL19205317 0.83 TGFBR1 (0.46) PKMKDM4EGPR119JAK2JAK3
SCHEMBL31052552 0.80 ALDH1A1 (0.44) NR1D1ALDH1A1LMNAMAPTGPR119
SCHEMBL31105872 0.78 ALDH1A1 (0.49) PKMALDH1A1LMNAMAPTPOLB
SCHEMBL1559337 0.77 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGPR119
SCHEMBL19205378 0.77 BACE1 (0.49) ALDH1A1MAPT
SCHEMBL18383147 0.76 ALDH1A1 (0.41) NR1D1ALDH1A1LMNAMAPTGPR119
SCHEMBL363711 0.76 PKM (0.46) PKMALDH1A1LMNAMAPTGPR119
SCHEMBL24791666 0.76 KDM4E (0.48) PKMKDM4EGPR119FAAH
SCHEMBL19128692 0.75 ALDH1A1 (0.47) PKMALDH1A1LMNAMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 — — EP disclosed
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 — — US disclosed
EP-3715346-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Dana-Farber Cancer Institute (US) 2020-09-30 — — EP disclosed
EP-3715346-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES Dana-Farber Cancer Institute (US) 2020-09-30 — — EP disclosed
US-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-28 — — US disclosed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 — — EP disclosed
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 — — US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 — — US disclosed
US-10112957-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-10-30 — — US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 — — US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, MCL1 NR1D1 1446/4885PKM 856/4885ALDH1A1 3854/4885
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 NR1D1 1444/4885PKM 824/4885ALDH1A1 3889/4885
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 NR1D1 1444/4885PKM 824/4885ALDH1A1 3889/4885
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, MCL1 NR1D1 1446/4885PKM 856/4885ALDH1A1 3854/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 NR1D1 1444/4885PKM 824/4885ALDH1A1 3889/4885
US-10112957-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 NR1D1 1444/4885PKM 824/4885ALDH1A1 3889/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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